SCHEMBL8947786

SCHEMBL8947786

CCOC(C=O)CN(C(=O)[C@H](CC(=O)NCC1CN(C(=N)N)CCO1)NS(=O)(=O)c1ccccc1C(=O)O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.39
KCNA5 P22460 1/20 0.32
HPGD P15428 2/20 0.32
PRSS1 P07477 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7298314 0.86 F2 (0.42) F2KCNA5HPGDPRSS1
SCHEMBL8947704 0.85 F2 (0.43) F2KCNA5HPGDPRSS1CYP3A4
SCHEMBL7297129 0.85 F2 (0.43) F2KCNA5HPGDPRSS1CYP3A4
Hydrochloric Acid SCHEMBL8947655 0.82 F2 (0.49) F2
SCHEMBL8947782 0.78 F2 (0.35) F2KCNA5HPGDCYP3A4CYP2D6
SCHEMBL8947700 0.76 F2 (0.35) F2KCNA5HPGDCYP3A4CYP2D6
SCHEMBL9164171 0.75 F2 (0.54) F2
SCHEMBL8947690 0.71 F2 (0.46) F2
SCHEMBL8947678 0.71 F2 (0.46) F2
Trifluoroacetic Acid SCHEMBL8947764 0.71 F2 (0.33) F2KCNA5PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed